SpectraBase Spectrum ID |
69jcNkxot6z |
Name |
2-(4-Aminobenzyl)-5-[4-(methansulfonyl)piperazin-1-yl]-2,3-dihydro-1H-inden-1-one |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C21H25N3O3S |
InChI |
InChI=1S/C21H25N3O3S/c1-28(26,27)24-10-8-23(9-11-24)19-6-7-20-16(14-19)13-17(21(20)25)12-15-2-4-18(22)5-3-15/h2-7,14,17H,8-13,22H2,1H3 |
InChIKey |
LGIKBVBBDQAKHZ-UHFFFAOYSA-N |
Literature Reference DOI |
10.1002/jccs.200800126 |
Molecular Weight |
399.509 g/mol |
SMILES |
Nc1ccc(CC2C(c3ccc(cc3C2)N2CCN(CC2)S(C)(=O)=O)=O)cc1 |
SPLASH |
splash10-0a4i-2976100000-bac87e47a74e2ee965c7 |
Source of Spectrum |
QA-55-852-15 |
Synonyms |
2-(4-aminobenzyl)-5-(4-(methylsulfonyl)piperazin-1-yl)-2,3-dihydro-1H-inden-1-one |
Wiley ID |
1796396 |